1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

C13H22N2O2S — CID 116765590

IUPAC1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCOC1(C(Cc2nccs2)NC)CCOCC1
InChIInChI=1S/C13H22N2O2S/c1-3-17-13(4-7-16-8-5-13)11(14-2)10-12-15-6-9-18-12/h6,9,11,14H,3-5,7-8,10H2,1-2H3
InChIKeyBWPZYRKGEMADDM-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.86
Rot. Bonds6

About 1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 116765590) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID116765590
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCOC1(C(Cc2nccs2)NC)CCOCC1
InChIInChI=1S/C13H22N2O2S/c1-3-17-13(4-7-16-8-5-13)11(14-2)10-12-15-6-9-18-12/h6,9,11,14H,3-5,7-8,10H2,1-2H3
InChIKeyBWPZYRKGEMADDM-UHFFFAOYSA-N
XLogP1.86
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116768734
[1-(1-ethoxycyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105276383
1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116762857
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765716
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765587
1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 116770574
2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698
[1-(1-ethoxy-3-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105277794
[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276919
2-(2-chloro-4-methylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 106868855
2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765561

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (CID 116765590) is 1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is CCOC1(C(Cc2nccs2)NC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is BWPZYRKGEMADDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-17-13(4-7-16-8-5-13)11(14-2)10-12-15-6-9-18-12/h6,9,11,14H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 270.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 116765590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).